SCHEMBL2013570

SCHEMBL2013570

CCOC(=O)COc1ccc(C(=O)CN2Cc3cc(C=NNC(=O)OC(C)(C)C)ccc3C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.40
AOC3 Q16853 2/20 0.39
ALDH1A1 P00352 5/20 0.39
MIF P14174 2/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2010003 0.91 MAPT (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2013568 0.83 ITGB3 (0.39) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2007667 0.80 MIF (0.41) RAB9AKMT2AMEN1MAPTKDM4E
SCHEMBL2010749 0.80 MIF (0.39) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2006234 0.80 MIF (0.41) RAB9AKMT2AMEN1MAPTKDM4E
SCHEMBL2009805 0.79 AOC3 (0.41) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2008615 0.77 ITGB3 (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2007989 0.77 AOC3 (0.46) KMT2AMEN1MAPTKDM4EAOC3
SCHEMBL2015632 0.77 ITGB3 (0.53) AOC3
SCHEMBL2012689 0.77 ALK (0.45) KMT2AMEN1MAPTAOC3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 NPC1 4226/4885RAB9A 2816/4885KMT2A 4561/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 NPC1 4226/4885RAB9A 2816/4885KMT2A 4561/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.